3,4,5-trihydroxy-6-{[3-(3-hydroxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid (CHEBI:188374)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3,4,5-trihydroxy-6-{[3-(3-hydroxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid

ChEBI ID	CHEBI:188374

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O9

Net Charge

Average Mass

342.300

Monoisotopic Mass

342.09508

InChI

InChI=1S/C15H18O9/c16-8-3-1-2-7(6-8)4-5-9(17)23-15-12(20)10(18)11(19)13(24-15)14(21)22/h1-3,6,10-13,15-16,18-20H,4-5H2,(H,21,22)

InChIKey

JFCHPLFFTHMUOP-UHFFFAOYSA-N

SMILES

O1C(C(O)C(O)C(O)C1OC(=O)CCC2=CC(O)=CC=C2)C(O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in blood serum (BTO:0000133). See: MetaboLights Study

ChEBI Ontology
Outgoing	3,4,5-trihydroxy-6-{[3-(3-hydroxyphenyl)propanoyl]oxy}oxane-2-carboxylic acid (CHEBI:188374) is a glucosiduronic acid (CHEBI:24302)

IUPAC Name

3,4,5-trihydroxy-6-[3-(3-hydroxyphenyl)propanoyloxy]oxane-2-carboxylic acid